1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide

C18H22ClNO3S — CID 90498609

IUPAC1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide
SMILESCC(O)(CCc1ccccc1)CNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO3S/c1-18(21,12-11-15-7-3-2-4-8-15)14-20-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,20-21H,11-14H2,1H3
InChIKeyIMELSUJMTNIZEU-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.14
Rot. Bonds8

About 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide (PubChem CID 90498609) has the molecular formula C18H22ClNO3S and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide
PubChem CID90498609
Molecular FormulaC18H22ClNO3S
Molecular Weight367.90 g/mol
Exact Mass367.10
IUPAC Name1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide
SMILESCC(O)(CCc1ccccc1)CNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO3S/c1-18(21,12-11-15-7-3-2-4-8-15)14-20-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,20-21H,11-14H2,1H3
InChIKeyIMELSUJMTNIZEU-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide
CID 95986127
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566
3-chloro-4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498613
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 90498631
1-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 121085981
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
4-(benzylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001767
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-nitrobenzenesulfonamide
CID 90498603
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide (CID 90498609) is 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide is CC(O)(CCc1ccccc1)CNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide?
The InChIKey is IMELSUJMTNIZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3S/c1-18(21,12-11-15-7-3-2-4-8-15)14-20-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,20-21H,11-14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide has a molecular weight of 367.90 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide is sourced from PubChem (CID 90498609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).